Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cc61feecf63f29a2a5ded36a58f153f2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.734,
"b": 51.831,
"c": 55.040,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.730,1.300],
"number_observations": 540575,
"number_observations_unique": 31472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 17.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 21977,
"number_observations_unique": 1498,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.072
},
{
"type": "R(meas)",
"value": 5.255
},
{
"type": "R(pim)",
"value": 1.358
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 14.700
},
{
"type": "CC(1/2)",
"value": 0.446
}
]
},
{
"resolution_limits": [43.730,7.120],
"number_observations": 3552,
"number_observations_unique": 243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 21.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}